SCHEMBL19970514

SCHEMBL19970514

Cc1cccc(Cl)c1CSC1CCC2(C=C1C(=O)O)O[C@@H](CO)[C@H](CO)O2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19970488 0.82 PTPRC (0.36) ALDH1A1HPGD
SCHEMBL19970507 0.80 P2RX7 (0.31) P2RX7
SCHEMBL19982409 0.78 KDM4E (0.32) P2RX7ALDH1A1
SCHEMBL19970491 0.77 HSD11B1 (0.34) P2RX7ALDH1A1HPGD
SCHEMBL18204524 0.75 FFAR1 (0.33)
SCHEMBL18204550 0.75 PDPK1 (0.33)
SCHEMBL18204526 0.75 FFAR1 (0.33)
SCHEMBL18204517 0.75 PDPK1 (0.33)
SCHEMBL18204496 0.75 PDPK1 (0.33)
SCHEMBL14136714 0.74 MAPT (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
EP-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180118708-A1 CYCLIC COMPOUND TLR4, TLR3, TLR9 P2RX7 57/4885ALDH1A1 973/4885HPGD 2933/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.